1-(2-Bromophenyl)-2-thiourea

C₇H₇BrN₂SCAS 5391-30-0231.11 g/mol

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Properties

Molecular formula: C₇H₇BrN₂S
Molar mass: 231.11 g/mol
Exact mass: 229.9513 Da
logP: 2.10Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5391-30-0

SMILES

C1=CC=C(C(=C1)NC(=S)N)Br

InChIKey

QIGMVYSPXPXCPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

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Names and synonyms

1 names

Thiourea, (2-bromophenyl)-

Work with 1-(2-Bromophenyl)-2-thiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Nitrophenyl)-2-thiourea51039-84-050 % similar 2-Pyridylthiourea14294-11-246 % similar N-(2,6-Dichlorophenyl)thiourea6590-91-644 % similar 2-Bromophenylhydrazine hydrochloride50709-33-644 % similar (2,5-Difluorophenyl)thiourea207981-44-042 % similar 2,4-Dichlorophenylthiourea6326-14-342 % similar 2-Bromo-N-phenylaniline61613-22-741 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4-Bromophenyl)thiourea2646-30-2

Elsewhere

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